N-[(2-methoxyphenyl)methyl]-3-[(5-nitropyridin-1-ium-2-yl)amino]propanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-3-[(5-nitropyridin-1-ium-2-yl)amino]propanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-3-[(5-nitropyridin-1-ium-2-yl)amino]propanamide CAS Name: N-[(2-methoxyphenyl)methyl]-3-[(5-nitro-2-pyridin-1-iumyl)amino]propanamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-[(5-nitropyridin-1-ium-2-yl)amino]propanamide Traditional Name: 3-[(5-nitropyridin-1-ium-2-yl)amino]-N-o-anisyl-propionamide Formula: C16H19N4O4+ MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)CCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)CCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-24-14-5-3-2-4-12(14)10-19-16(21)8-9-17-15-7-6-13(11-18-15)20(22)23/h2-7,11H,8-10H2,1H3,(H,17,18)(H,19,21)/p+1